smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](CO[P@](=O)([O-])O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567622 557357199 /nfs/dbraw/zinc/35/71/99/557357199.db2.gz LGDJNCRIHRFKML-INIZCTEOSA-N -2 2 407.315 2.088 50 0 HEAALL O=C([O-])[C@H](CO[P@@](=O)([O-])O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567622 557357201 /nfs/dbraw/zinc/35/72/01/557357201.db2.gz LGDJNCRIHRFKML-INIZCTEOSA-N -2 2 407.315 2.088 50 0 HEAALL